#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x66 s SER 2 N 0.00 3.99 0.50 1.61 1.04 -1.26 -5.10 113.70 114.49 1x66 s SER 2 Ca 0.00 -2.72 0.07 0.00 0.48 0.00 0.00 55.95 53.78 1x66 s SER 2 Cb 0.00 -1.31 0.02 0.00 0.10 0.00 0.00 66.02 64.83 1x66 s SER 2 CO 0.00 -0.26 0.41 -0.44 0.98 0.00 0.00 173.24 173.93 1x66 s SER 3 N 0.17 4.76 0.00 7.02 0.01 -1.26 -5.13 113.70 119.27 1x66 s SER 3 Ca 0.17 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1x66 s SER 3 Cb -0.25 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1x66 s SER 3 CO -0.01 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.28 1x66 n GLY 4 N -1.71 1.12 3.27 3.44 0.00 -1.26 -4.99 105.19 105.07 1x66 n GLY 4 Ca 0.01 0.52 -0.22 0.00 0.00 0.00 0.00 46.02 46.33 1x66 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x66 n SER 5 N 0.00 -5.99 -3.86 1.61 2.88 -1.26 -4.99 113.62 102.00 1x66 n SER 5 Ca 0.00 -0.42 -0.13 0.00 -1.33 0.00 0.00 58.87 56.98 1x66 n SER 5 Cb 0.00 -4.68 -0.08 0.00 -0.75 0.00 0.00 64.21 58.70 1x66 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x66 s SER 6 N -3.12 0.50 0.57 -3.46 0.01 -1.26 -5.17 113.70 101.79 1x66 s SER 6 Ca 0.46 -1.39 0.09 0.00 1.31 0.00 0.00 55.95 56.42 1x66 s SER 6 Cb -0.20 0.49 0.08 0.00 0.21 0.00 0.00 66.02 66.60 1x66 s SER 6 CO 0.57 -1.00 0.73 -0.83 0.41 0.00 0.00 173.24 173.12 1x66 s GLY 7 N -3.19 1.84 0.96 3.44 0.00 -1.26 -5.11 107.32 104.00 1x66 s GLY 7 Ca 0.35 -2.00 -0.12 0.00 0.00 0.00 0.00 44.72 42.95 1x66 s GLY 7 CO 0.16 -1.74 1.09 2.56 0.00 0.00 0.00 173.10 175.17 1x66 s PRO 8 N -4.61 0.73 0.75 2.90 0.04 -1.26 -5.02 135.00 128.53 1x66 s PRO 8 Ca 0.57 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 1x66 s PRO 8 Cb -0.05 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 32.77 1x66 s PRO 8 CO 0.36 -2.55 1.10 -1.25 0.04 0.00 0.00 177.00 174.69 1x66 s PRO 9 N -4.95 2.38 0.01 0.56 0.04 -1.26 -4.98 135.00 126.79 1x66 s PRO 9 Ca 0.65 1.22 -0.25 0.00 0.04 0.00 0.00 61.00 62.66 1x66 s PRO 9 Cb -0.18 -1.91 -0.19 0.00 0.04 0.00 0.00 34.50 32.26 1x66 s PRO 9 CO 0.57 -1.55 1.38 -0.91 0.04 0.00 0.00 177.00 176.53 1x66 h ASN 10 N -0.85 0.01 -3.59 6.66 2.35 -1.95 -3.42 115.58 114.80 1x66 h ASN 10 Ca -0.44 -0.38 -0.62 0.00 -0.55 0.00 0.00 56.30 54.31 1x66 h ASN 10 Cb 1.23 -0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.46 1x66 h ASN 10 CO 0.52 0.39 -0.41 -0.32 -1.65 0.00 0.00 177.43 175.96 1x66 s MET 11 N -4.70 4.09 0.03 0.81 1.75 -1.26 -5.08 119.30 114.94 1x66 s MET 11 Ca -0.15 -0.13 -0.13 0.00 -1.25 0.00 0.00 55.69 54.03 1x66 s MET 11 Cb 0.03 -3.55 -0.06 0.00 2.84 0.00 0.00 34.83 34.09 1x66 s MET 11 CO 0.67 -0.00 0.41 -0.08 -0.65 0.00 0.00 175.02 175.37 1x66 s THR 12 N 1.24 5.04 0.54 10.11 -1.32 -1.26 -4.95 115.64 125.05 1x66 s THR 12 Ca 0.11 0.71 0.01 0.00 -1.21 0.00 0.00 61.69 61.31 1x66 s THR 12 Cb -0.14 -3.69 0.03 0.00 -1.51 0.00 0.00 72.50 67.19 1x66 s THR 12 CO 0.06 0.47 0.77 -0.89 -2.21 0.00 0.00 174.62 172.82 1x66 s THR 13 N -1.20 2.84 0.00 5.08 2.01 -1.26 -4.94 115.64 118.18 1x66 s THR 13 Ca 0.27 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1x66 s THR 13 Cb -0.16 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.28 1x66 s THR 13 CO 0.15 -0.05 0.00 -3.20 -0.69 0.00 0.00 174.62 170.83 1x66 n ASN 14 N -2.33 0.00 0.00 3.53 2.85 -1.26 -5.03 115.26 113.02 1x66 n ASN 14 Ca 0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 1x66 n ASN 14 Cb 0.59 0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.80 1x66 n ASN 14 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1x66 n GLU 15 N -2.06 0.00 -2.81 1.20 -0.58 -1.26 -5.00 120.64 110.13 1x66 n GLU 15 Ca 0.00 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.58 1x66 n GLU 15 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1x66 n GLU 15 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1x66 n ARG 16 N -2.11 1.65 -4.87 3.49 1.74 -1.26 -5.09 116.66 110.22 1x66 n ARG 16 Ca 0.00 -3.64 -0.31 0.00 -0.77 0.00 0.00 57.85 53.13 1x66 n ARG 16 Cb 0.00 -1.62 -0.14 0.00 -1.02 0.00 0.00 32.46 29.68 1x66 n ARG 16 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1x66 s ARG 17 N -3.03 2.20 0.29 5.56 6.06 -1.26 -5.10 118.95 123.67 1x66 s ARG 17 Ca 0.36 -0.89 -0.24 0.00 -2.50 0.00 0.00 55.73 52.46 1x66 s ARG 17 Cb 0.40 -2.21 -0.09 0.00 0.06 0.00 0.00 34.95 33.11 1x66 s ARG 17 CO -0.05 0.57 0.88 0.08 -2.50 0.00 0.00 175.30 174.28 1x66 s VAL 18 N -0.80 4.32 -0.62 7.11 1.01 -1.26 -4.88 120.40 125.27 1x66 s VAL 18 Ca 0.13 1.67 0.02 0.00 0.00 0.00 0.00 61.98 63.79 1x66 s VAL 18 Cb -0.10 -3.98 0.16 0.00 0.00 0.00 0.00 36.38 32.45 1x66 s VAL 18 CO 0.02 0.18 0.41 -0.63 0.00 0.00 0.00 175.10 175.08 1x66 s ILE 19 N -1.56 3.15 0.18 2.22 1.01 -1.26 -4.90 121.20 120.03 1x66 s ILE 19 Ca 0.47 -3.47 0.11 0.00 0.00 0.00 0.00 60.65 57.77 1x66 s ILE 19 Cb -0.18 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1x66 s ILE 19 CO 0.23 -0.89 -0.25 0.68 0.00 0.00 0.00 174.94 174.72 1x66 s VAL 20 N -0.57 2.34 0.61 2.92 -7.23 -1.26 -5.13 120.40 112.08 1x66 s VAL 20 Ca 0.20 -1.98 -0.17 0.00 -1.81 0.00 0.00 61.98 58.22 1x66 s VAL 20 Cb -0.18 -2.10 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 1x66 s VAL 20 CO -0.05 -0.07 1.12 -2.16 -0.31 0.00 0.00 175.10 173.62 1x66 s PRO 21 N -2.55 3.03 0.04 4.82 0.04 -1.26 -4.77 135.00 134.35 1x66 s PRO 21 Ca 0.19 1.49 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 1x66 s PRO 21 Cb -0.08 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1x66 s PRO 21 CO 0.09 -1.08 1.20 0.00 0.04 0.00 0.00 177.00 177.25 1x66 h ALA 22 N 0.53 -0.74 -1.13 8.56 0.00 -1.98 -3.39 119.26 121.10 1x66 h ALA 22 Ca -0.48 -0.04 -0.65 0.00 0.00 0.00 0.00 54.91 53.73 1x66 h ALA 22 Cb 1.25 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1x66 h ALA 22 CO 0.55 -0.78 1.44 -0.25 0.00 0.00 0.00 179.25 180.21 1x66 n ASP 23 N -3.52 2.16 0.00 0.00 8.00 -1.26 -4.77 116.55 117.15 1x66 n ASP 23 Ca -0.03 0.36 0.07 0.00 0.71 0.00 0.00 54.79 55.89 1x66 n ASP 23 Cb 0.15 -1.28 0.33 0.00 -0.02 0.00 0.00 41.12 40.29 1x66 n ASP 23 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1x66 n PRO 24 N 8.28 0.06 0.11 -0.24 -0.04 -1.26 -2.33 135.00 139.58 1x66 n PRO 24 Ca 0.41 0.22 0.02 0.00 -0.04 0.00 0.00 63.50 64.11 1x66 n PRO 24 Cb 0.25 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1x66 n PRO 24 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1x66 h THR 25 N 0.00 0.74 -0.01 0.52 1.35 -1.87 -3.21 112.91 110.44 1x66 h THR 25 Ca 0.00 -2.11 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 1x66 h THR 25 Cb 0.21 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1x66 h THR 25 CO 0.00 0.42 -0.04 0.18 -0.25 0.00 0.00 175.52 175.84 1x66 n LEU 26 N -3.13 0.87 -4.70 3.87 4.77 -0.98 -3.73 117.00 113.96 1x66 n LEU 26 Ca -0.01 -0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.30 1x66 n LEU 26 Cb 0.75 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.77 1x66 n LEU 26 CO 0.41 0.15 1.23 0.26 -1.33 0.00 0.00 177.39 178.11 1x66 s TRP 27 N -2.12 2.84 1.07 -1.77 0.51 -1.21 -4.93 118.94 113.33 1x66 s TRP 27 Ca 0.38 0.57 -0.18 0.00 -2.12 0.00 0.00 56.10 54.76 1x66 s TRP 27 Cb 0.21 -3.89 0.24 0.00 -0.81 0.00 0.00 33.47 29.22 1x66 s TRP 27 CO 0.38 -3.37 1.25 0.95 -0.51 0.00 0.00 176.95 175.65 1x66 s THR 28 N 1.77 1.83 0.34 2.01 -4.23 -1.26 -0.08 115.64 116.03 1x66 s THR 28 Ca 0.70 0.00 0.37 0.00 -1.18 0.00 0.00 61.69 61.58 1x66 s THR 28 Cb -0.40 -2.80 0.37 0.00 1.34 0.00 0.00 72.50 71.00 1x66 s THR 28 CO 0.31 0.00 2.12 -0.61 -0.54 0.00 0.00 174.62 175.90 1x66 h GLN 29 N -2.05 0.00 0.04 3.99 4.15 -1.94 -2.43 115.11 116.87 1x66 h GLN 29 Ca -0.44 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 58.61 1x66 h GLN 29 Cb 1.25 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.90 1x66 h GLN 29 CO 0.34 0.00 -2.12 -1.91 -1.93 0.00 0.00 178.83 173.21 1x66 n GLU 30 N -2.81 0.67 -0.06 1.69 2.13 -1.26 -4.27 120.64 116.73 1x66 n GLU 30 Ca -0.02 0.28 -0.08 0.00 0.66 0.00 0.00 57.16 58.00 1x66 n GLU 30 Cb 0.08 -1.62 -0.01 0.00 0.27 0.00 0.00 31.44 30.16 1x66 n GLU 30 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1x66 h HIS 31 N -0.30 -0.55 -0.94 4.31 3.86 -1.78 0.10 115.15 119.86 1x66 h HIS 31 Ca -0.51 0.04 0.26 0.00 -1.16 0.00 0.00 60.37 59.00 1x66 h HIS 31 Cb 1.81 0.28 -0.04 0.00 1.06 0.00 0.00 27.41 30.51 1x66 h HIS 31 CO 0.04 -0.29 0.67 0.28 0.86 0.00 0.00 177.93 179.49 1x66 h VAL 32 N -0.20 0.55 0.13 2.45 2.07 -1.69 -0.26 116.25 119.29 1x66 h VAL 32 Ca 0.15 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1x66 h VAL 32 Cb 0.42 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1x66 h VAL 32 CO -0.39 0.01 -0.06 0.03 0.02 0.00 0.00 177.57 177.19 1x66 h ARG 33 N 0.07 -0.16 -0.74 1.57 3.08 -1.03 -3.05 114.38 114.11 1x66 h ARG 33 Ca 0.46 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.65 1x66 h ARG 33 Cb 1.71 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.70 1x66 h ARG 33 CO -0.04 0.22 0.30 1.96 -1.07 0.00 0.00 179.97 181.34 1x66 h GLN 34 N -0.96 0.45 -0.96 0.04 4.20 -0.37 -0.10 115.11 117.42 1x66 h GLN 34 Ca -0.02 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.72 1x66 h GLN 34 Cb 0.46 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.08 1x66 h GLN 34 CO 0.03 0.30 0.62 2.35 -0.67 0.00 0.00 178.83 181.46 1x66 h TRP 35 N 0.46 1.16 0.85 2.96 7.01 -1.19 -1.49 115.95 125.72 1x66 h TRP 35 Ca 0.40 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.39 1x66 h TRP 35 Cb 0.58 -0.38 0.01 0.00 -2.10 0.00 0.00 29.16 27.27 1x66 h TRP 35 CO -0.16 0.63 -0.41 1.25 -2.79 0.00 0.00 178.44 176.96 1x66 h LEU 36 N 1.16 -0.97 -1.99 0.65 5.85 -0.91 -0.51 115.31 118.59 1x66 h LEU 36 Ca 0.40 0.03 0.21 0.00 0.84 0.00 0.00 57.88 59.36 1x66 h LEU 36 Cb 0.09 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1x66 h LEU 36 CO -0.15 -0.68 0.54 -0.33 -0.34 0.00 0.00 178.44 177.49 1x66 h GLU 37 N -1.18 0.00 0.36 1.25 5.08 -1.29 -1.27 114.58 117.53 1x66 h GLU 37 Ca -0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1x66 h GLU 37 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1x66 h GLU 37 CO 0.19 0.00 -0.17 2.35 -1.00 0.00 0.00 179.01 180.38 1x66 h TRP 38 N 0.00 -0.45 -0.88 4.33 7.01 -0.89 -2.45 115.95 122.63 1x66 h TRP 38 Ca 0.34 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.58 1x66 h TRP 38 Cb 1.42 0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 28.59 1x66 h TRP 38 CO 0.00 -0.28 0.63 0.00 -2.79 0.00 0.00 178.44 176.00 1x66 h ALA 39 N -1.30 2.75 -0.04 2.65 0.00 -0.55 0.30 119.26 123.06 1x66 h ALA 39 Ca -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1x66 h ALA 39 Cb 0.37 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1x66 h ALA 39 CO 0.08 -1.00 -0.05 0.82 0.00 0.00 0.00 179.25 179.10 1x66 h ILE 40 N 0.05 1.39 0.00 0.00 2.04 -1.27 0.24 117.51 119.96 1x66 h ILE 40 Ca 0.42 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1x66 h ILE 40 Cb 1.61 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 1x66 h ILE 40 CO -0.03 0.33 0.00 0.07 0.00 0.00 0.00 178.15 178.52 1x66 h LYS 41 N -0.36 0.00 0.00 2.37 2.10 -0.60 0.35 116.57 120.43 1x66 h LYS 41 Ca 0.01 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1x66 h LYS 41 Cb 0.56 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 1x66 h LYS 41 CO 0.01 0.00 -0.59 1.49 -2.00 0.00 0.00 179.45 178.37 1x66 h GLU 42 N 0.00 0.00 -0.24 0.07 4.57 -0.41 -3.36 114.58 115.21 1x66 h GLU 42 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1x66 h GLU 42 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1x66 h GLU 42 CO 0.00 0.47 0.00 0.66 -1.18 0.00 0.00 179.01 178.96 1x66 n TYR 43 N -4.59 0.31 -3.43 0.92 4.01 0.85 -4.95 117.16 110.29 1x66 n TYR 43 Ca -0.14 -0.16 -0.15 0.00 -0.16 0.00 0.00 57.90 57.29 1x66 n TYR 43 Cb 0.38 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.43 1x66 n TYR 43 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1x66 n SER 44 N 0.30 -6.32 -4.93 7.72 7.64 0.84 -4.99 113.62 113.89 1x66 n SER 44 Ca 0.13 -0.58 -0.28 0.00 1.01 0.00 0.00 58.87 59.15 1x66 n SER 44 Cb 0.27 -3.75 -0.03 0.00 -1.01 0.00 0.00 64.21 59.69 1x66 n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x66 s LEU 45 N -4.86 4.33 0.17 -3.43 1.43 0.87 -5.01 118.68 112.18 1x66 s LEU 45 Ca 0.11 0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 53.42 1x66 s LEU 45 Cb -0.04 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 1x66 s LEU 45 CO 0.82 0.08 0.21 -0.04 0.23 0.00 0.00 176.35 177.65 1x66 s MET 46 N -2.95 1.14 -1.48 1.70 -1.94 -1.26 -4.83 119.30 109.68 1x66 s MET 46 Ca 0.36 -1.36 -0.00 0.00 -1.71 0.00 0.00 55.69 52.98 1x66 s MET 46 Cb -0.12 0.33 0.00 0.00 2.01 0.00 0.00 34.83 37.05 1x66 s MET 46 CO 0.28 -0.39 0.06 0.39 -0.01 0.00 0.00 175.02 175.35 1x66 n GLU 47 N -0.21 -1.75 -4.13 2.03 1.02 -1.26 -4.72 120.64 111.62 1x66 n GLU 47 Ca -0.04 0.84 -0.35 0.00 -0.02 0.00 0.00 57.16 57.59 1x66 n GLU 47 Cb 0.64 -5.34 -0.09 0.00 -0.02 0.00 0.00 31.44 26.63 1x66 n GLU 47 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1x66 s ILE 48 N -2.90 4.74 -0.91 -3.67 2.07 -1.26 -3.74 121.20 115.52 1x66 s ILE 48 Ca 0.03 -0.07 -0.15 0.00 -1.41 0.00 0.00 60.65 59.05 1x66 s ILE 48 Cb -0.01 -3.06 0.19 0.00 0.13 0.00 0.00 42.46 39.70 1x66 s ILE 48 CO 0.04 0.56 0.97 -0.62 -1.91 0.00 0.00 174.94 173.97 1x66 s ASP 49 N -0.44 6.78 0.54 4.50 2.15 0.86 -4.85 116.67 126.21 1x66 s ASP 49 Ca 0.09 -2.55 0.30 0.00 0.43 0.00 0.00 52.55 50.82 1x66 s ASP 49 Cb -0.12 -2.29 1.57 0.00 -0.30 0.00 0.00 42.92 41.78 1x66 s ASP 49 CO 0.02 -0.74 2.11 0.71 -0.17 0.00 0.00 175.17 177.10 1x66 h THR 50 N 5.07 0.45 0.00 1.71 1.35 -1.97 -2.11 112.91 117.41 1x66 h THR 50 Ca 0.15 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 1x66 h THR 50 Cb 1.01 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1x66 h THR 50 CO 0.93 0.09 -0.03 0.77 -0.25 0.00 0.00 175.52 177.03 1x66 h SER 51 N 0.00 0.00 0.72 5.36 4.64 -1.96 -0.41 113.55 121.90 1x66 h SER 51 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1x66 h SER 51 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1x66 h SER 51 CO 0.01 0.03 -0.26 0.15 -0.87 0.00 0.00 176.83 175.89 1x66 h PHE 52 N 0.00 0.00 -0.47 4.77 3.57 -1.76 -2.63 116.94 120.42 1x66 h PHE 52 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1x66 h PHE 52 Cb 0.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1x66 h PHE 52 CO 0.00 0.26 0.00 1.19 -2.23 0.00 0.00 178.31 177.53 1x66 n PHE 53 N -3.54 0.77 0.27 0.41 3.01 -0.21 -4.50 117.46 113.66 1x66 n PHE 53 Ca -0.01 -0.55 0.11 0.00 1.01 0.00 0.00 57.45 58.01 1x66 n PHE 53 Cb 0.41 -0.08 0.73 0.00 -0.01 0.00 0.00 39.48 40.53 1x66 n PHE 53 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1x66 h GLN 54 N 2.82 0.00 -0.45 -1.08 3.07 -1.03 -3.05 115.11 115.39 1x66 h GLN 54 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.46 1x66 h GLN 54 Cb 0.96 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.12 1x66 h GLN 54 CO 0.05 0.08 -1.06 -1.71 0.09 0.00 0.00 178.83 176.28 1x66 n ASN 55 N -3.99 2.06 -4.18 0.06 2.85 -1.26 -4.87 115.26 105.93 1x66 n ASN 55 Ca -0.03 -2.31 -0.39 0.00 -0.11 0.00 0.00 54.58 51.74 1x66 n ASN 55 Cb 0.17 -0.45 -0.09 0.00 1.24 0.00 0.00 39.78 40.64 1x66 n ASN 55 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1x66 s MET 56 N -3.53 2.33 0.66 1.20 1.75 -1.15 -5.05 119.30 115.51 1x66 s MET 56 Ca 0.31 -1.77 -0.18 0.00 -1.25 0.00 0.00 55.69 52.81 1x66 s MET 56 Cb 0.34 -3.81 -0.00 0.00 2.84 0.00 0.00 34.83 34.20 1x66 s MET 56 CO -0.04 -1.14 1.27 -0.40 -0.65 0.00 0.00 175.02 174.06 1x66 n ASP 57 N 4.81 1.91 -0.40 1.11 5.68 -1.26 -4.62 116.55 123.78 1x66 n ASP 57 Ca -0.06 0.80 0.33 0.00 -0.50 0.00 0.00 54.79 55.36 1x66 n ASP 57 Cb 0.41 -1.54 0.64 0.00 -1.14 0.00 0.00 41.12 39.49 1x66 n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1x66 h GLY 58 N 0.38 0.81 0.93 6.12 0.00 -0.63 0.41 103.07 111.10 1x66 h GLY 58 Ca -0.50 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 1x66 h GLY 58 CO 0.52 -0.17 0.03 0.50 0.00 0.00 0.00 176.54 177.42 1x66 h LYS 59 N 0.16 0.66 0.00 4.80 1.79 -1.76 -0.68 116.57 121.54 1x66 h LYS 59 Ca 0.69 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 1x66 h LYS 59 Cb 2.24 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.82 1x66 h LYS 59 CO -0.23 0.74 0.00 0.39 -1.08 0.00 0.00 179.45 179.26 1x66 n GLU 60 N -4.50 0.10 0.01 3.15 -0.58 0.12 -2.88 120.64 116.06 1x66 n GLU 60 Ca -0.01 0.14 -0.16 0.00 -0.42 0.00 0.00 57.16 56.71 1x66 n GLU 60 Cb 0.26 -1.63 -0.14 0.00 -0.57 0.00 0.00 31.44 29.36 1x66 n GLU 60 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1x66 h LEU 61 N 0.00 0.26 -0.11 -4.62 5.85 -0.55 -3.16 115.31 112.99 1x66 h LEU 61 Ca 0.00 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1x66 h LEU 61 Cb 0.53 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1x66 h LEU 61 CO 0.00 1.45 0.00 0.00 -0.34 0.00 0.00 178.44 179.55 1x66 n LYS 63 N -2.39 0.63 -1.54 0.00 2.85 -1.14 -4.94 118.16 111.62 1x66 n LYS 63 Ca 0.05 0.20 -0.38 0.00 -1.05 0.00 0.00 58.31 57.13 1x66 n LYS 63 Cb 0.42 -1.78 0.04 0.00 -0.65 0.00 0.00 35.03 33.06 1x66 n LYS 63 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1x66 n MET 64 N -2.87 0.74 -4.72 -1.58 2.81 -1.19 -5.02 117.12 105.29 1x66 n MET 64 Ca -0.11 0.29 -0.33 0.00 -1.81 0.00 0.00 57.70 55.74 1x66 n MET 64 Cb 0.86 -1.92 -0.07 0.00 -0.71 0.00 0.00 33.22 31.38 1x66 n MET 64 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1x66 n ASN 65 N -0.02 3.22 -0.34 7.83 0.23 -1.26 -4.95 115.26 119.97 1x66 n ASN 65 Ca 0.12 -3.28 0.13 0.00 -0.53 0.00 0.00 54.58 51.03 1x66 n ASN 65 Cb 0.46 0.44 0.34 0.00 -2.08 0.00 0.00 39.78 38.94 1x66 n ASN 65 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1x66 h LYS 66 N 0.00 0.71 0.55 -3.83 1.63 -1.95 0.25 116.57 113.94 1x66 h LYS 66 Ca -0.42 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.31 1x66 h LYS 66 Cb 1.30 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.78 1x66 h LYS 66 CO 0.70 0.47 -0.26 0.93 -3.45 0.00 0.00 179.45 177.84 1x66 h GLU 67 N 0.74 -0.71 -0.16 1.90 5.08 -1.98 0.39 114.58 119.83 1x66 h GLU 67 Ca 0.55 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 59.01 1x66 h GLU 67 Cb 0.90 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1x66 h GLU 67 CO -0.33 -0.43 0.20 -0.44 -1.00 0.00 0.00 179.01 177.01 1x66 h ASP 68 N -1.13 0.00 0.59 1.42 3.32 -1.83 -0.01 116.42 118.78 1x66 h ASP 68 Ca -0.08 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.69 1x66 h ASP 68 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1x66 h ASP 68 CO 0.12 0.00 -1.40 -0.26 -1.72 0.00 0.00 179.24 175.98 1x66 h PHE 69 N 0.00 0.33 0.00 4.55 0.04 -0.41 -3.28 116.94 118.18 1x66 h PHE 69 Ca 0.08 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1x66 h PHE 69 Cb 0.49 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.62 1x66 h PHE 69 CO 0.00 1.25 0.00 -0.07 -0.60 0.00 0.00 178.31 178.89 1x66 h LEU 70 N 0.05 0.00 -0.45 1.54 3.38 0.10 0.25 115.31 120.18 1x66 h LEU 70 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1x66 h LEU 70 Cb 1.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1x66 h LEU 70 CO 0.15 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.22 1x66 n ARG 71 N -2.84 1.30 0.00 1.13 1.74 -0.91 -4.08 116.66 113.01 1x66 n ARG 71 Ca 0.01 -0.45 0.00 0.00 -0.77 0.00 0.00 57.85 56.64 1x66 n ARG 71 Cb 0.28 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 1x66 n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x66 n ALA 72 N -0.37 1.94 -2.42 7.54 0.00 -0.79 -5.04 120.51 121.37 1x66 n ALA 72 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 1x66 n ALA 72 Cb 0.19 0.15 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 1x66 n ALA 72 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1x66 s THR 73 N -1.32 1.59 0.86 0.00 -1.32 0.80 -0.10 115.64 116.16 1x66 s THR 73 Ca 0.00 -1.96 -0.11 0.00 -1.21 0.00 0.00 61.69 58.41 1x66 s THR 73 Cb 0.00 -1.81 0.11 0.00 -1.51 0.00 0.00 72.50 69.30 1x66 s THR 73 CO 0.00 -0.47 1.15 0.28 -2.21 0.00 0.00 174.62 173.37 1x66 s THR 74 N -2.46 2.28 0.17 5.08 -1.32 -1.25 -3.97 115.64 114.17 1x66 s THR 74 Ca 0.16 0.10 -0.17 0.00 -1.21 0.00 0.00 61.69 60.57 1x66 s THR 74 Cb -0.03 -2.29 0.10 0.00 -1.51 0.00 0.00 72.50 68.77 1x66 s THR 74 CO 0.05 -0.11 1.67 0.25 -2.21 0.00 0.00 174.62 174.27 1x66 h LEU 75 N -1.48 -0.39 -0.23 9.08 5.85 -1.93 0.30 115.31 126.51 1x66 h LEU 75 Ca -0.44 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.46 1x66 h LEU 75 Cb 1.27 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 42.48 1x66 h LEU 75 CO 0.44 -0.14 -0.36 0.22 -0.34 0.00 0.00 178.44 178.27 1x66 h TYR 76 N -0.00 -1.00 -0.14 1.25 5.03 -1.99 0.06 116.97 120.18 1x66 h TYR 76 Ca 0.20 0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.50 1x66 h TYR 76 Cb 0.30 0.47 -0.01 0.00 1.55 0.00 0.00 36.73 39.04 1x66 h TYR 76 CO -0.36 -0.42 -0.16 -0.91 -1.32 0.00 0.00 178.16 174.99 1x66 h ASN 77 N -0.37 0.21 0.20 -2.11 2.35 -1.76 -2.13 115.58 111.97 1x66 h ASN 77 Ca 0.12 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1x66 h ASN 77 Cb 0.57 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 1x66 h ASN 77 CO -0.44 0.40 -0.11 0.74 -1.65 0.00 0.00 177.43 176.37 1x66 h THR 78 N 0.21 0.79 0.12 2.81 2.02 0.15 -1.03 112.91 117.96 1x66 h THR 78 Ca 0.04 -0.43 -0.28 0.00 0.77 0.00 0.00 66.41 66.51 1x66 h THR 78 Cb 0.42 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1x66 h THR 78 CO 0.03 0.11 -1.30 -0.33 0.37 0.00 0.00 175.52 174.40 1x66 h GLU 79 N 0.00 0.25 0.36 6.66 5.08 -0.54 -3.07 114.58 123.31 1x66 h GLU 79 Ca -0.00 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1x66 h GLU 79 Cb 0.24 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1x66 h GLU 79 CO 0.01 1.17 -0.17 0.28 -1.00 0.00 0.00 179.01 179.30 1x66 h VAL 80 N 0.07 0.24 0.04 3.13 2.07 -1.24 -2.08 116.25 118.49 1x66 h VAL 80 Ca -0.15 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.69 1x66 h VAL 80 Cb 1.97 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 1x66 h VAL 80 CO 0.19 0.06 -0.45 -0.07 0.02 0.00 0.00 177.57 177.32 1x66 h LEU 81 N -1.06 -1.35 -0.55 2.57 3.38 -1.38 0.25 115.31 117.17 1x66 h LEU 81 Ca -0.05 0.16 0.10 0.00 0.09 0.00 0.00 57.88 58.18 1x66 h LEU 81 Cb 0.47 0.52 -0.08 0.00 0.09 0.00 0.00 40.66 41.66 1x66 h LEU 81 CO 0.08 -0.49 0.11 -0.07 0.09 0.00 0.00 178.44 178.16 1x66 h LEU 82 N -0.63 -0.01 -0.39 1.67 3.38 -1.67 -0.31 115.31 117.34 1x66 h LEU 82 Ca 0.03 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1x66 h LEU 82 Cb 0.68 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1x66 h LEU 82 CO -0.30 0.01 0.25 -1.28 0.09 0.00 0.00 178.44 177.21 1x66 h SER 83 N 0.24 0.41 0.45 -0.43 0.87 -0.67 0.78 113.55 115.20 1x66 h SER 83 Ca 0.28 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1x66 h SER 83 Cb 0.40 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1x66 h SER 83 CO -0.37 0.30 -0.30 -0.74 -0.53 0.00 0.00 176.83 175.19 1x66 h HIS 84 N 0.50 -0.78 -0.23 2.24 -0.00 0.45 -2.36 115.15 114.97 1x66 h HIS 84 Ca 0.15 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.53 1x66 h HIS 84 Cb -0.02 0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.66 1x66 h HIS 84 CO -0.06 -0.45 0.15 1.25 -0.00 0.00 0.00 177.93 178.82 1x66 h LEU 85 N -0.72 0.21 -1.99 0.26 5.85 -0.97 -1.49 115.31 116.46 1x66 h LEU 85 Ca -0.05 -0.00 0.23 0.00 0.84 0.00 0.00 57.88 58.90 1x66 h LEU 85 Cb 0.60 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1x66 h LEU 85 CO 0.04 0.15 0.57 -1.28 -0.34 0.00 0.00 178.44 177.58 1x66 h SER 86 N 0.25 0.01 0.00 1.25 0.87 -0.28 0.23 113.55 115.87 1x66 h SER 86 Ca 0.09 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.47 1x66 h SER 86 Cb 0.06 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 1x66 h SER 86 CO -0.02 0.00 -0.97 0.22 -0.53 0.00 0.00 176.83 175.53 1x66 h TYR 87 N 0.01 0.00 -0.37 2.24 3.20 -1.26 -3.34 116.97 117.44 1x66 h TYR 87 Ca 0.38 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.31 1x66 h TYR 87 Cb 1.51 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.72 1x66 h TYR 87 CO -0.00 1.35 0.04 -0.07 -1.64 0.00 0.00 178.16 177.84 1x66 h LEU 88 N -1.00 -0.07 -1.87 2.82 4.07 -1.22 -0.31 115.31 117.74 1x66 h LEU 88 Ca -0.27 0.07 0.23 0.00 0.08 0.00 0.00 57.88 57.99 1x66 h LEU 88 Cb 1.22 0.12 -0.04 0.00 1.08 0.00 0.00 40.66 43.04 1x66 h LEU 88 CO -0.16 -0.00 0.58 0.03 -1.08 0.00 0.00 178.44 177.81 1x66 h ARG 89 N 0.15 0.11 -0.95 1.13 3.08 -0.75 0.20 114.38 117.34 1x66 h ARG 89 Ca 0.18 -0.01 -0.62 0.00 0.07 0.00 0.00 59.98 59.61 1x66 h ARG 89 Cb 0.23 -0.02 -0.30 0.00 0.08 0.00 0.00 29.97 29.96 1x66 h ARG 89 CO -0.27 0.07 0.64 0.39 -1.07 0.00 0.00 179.97 179.73 1x66 n GLU 90 N -4.35 2.66 -4.18 0.04 -0.58 -0.14 -4.95 120.64 109.15 1x66 n GLU 90 Ca 0.17 -3.32 -0.23 0.00 -0.42 0.00 0.00 57.16 53.36 1x66 n GLU 90 Cb 0.83 -2.25 -0.06 0.00 -0.57 0.00 0.00 31.44 29.38 1x66 n GLU 90 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x66 n SER 91 N -0.95 1.37 -2.09 1.62 2.88 0.69 -4.82 113.62 112.32 1x66 n SER 91 Ca 0.59 -2.96 -0.19 0.00 -1.33 0.00 0.00 58.87 54.99 1x66 n SER 91 Cb 0.89 0.88 -0.02 0.00 -0.75 0.00 0.00 64.21 65.21 1x66 n SER 91 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x66 n SER 92 N -1.55 -5.49 -4.30 -3.46 2.88 -1.26 -4.73 113.62 95.72 1x66 n SER 92 Ca -0.06 0.04 -0.36 0.00 -1.33 0.00 0.00 58.87 57.16 1x66 n SER 92 Cb 0.55 -4.55 -0.13 0.00 -0.75 0.00 0.00 64.21 59.33 1x66 n SER 92 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x66 s SER 93 N -2.22 4.86 0.00 -3.46 1.04 -1.26 -4.99 113.70 107.68 1x66 s SER 93 Ca 0.00 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1x66 s SER 93 Cb 0.00 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1x66 s SER 93 CO 0.00 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1x66 n GLY 94 N 4.80 3.37 3.77 7.32 0.00 -1.26 -5.11 105.19 118.08 1x66 n GLY 94 Ca -0.15 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 1x66 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x66 s PRO 95 N -2.14 4.24 -0.34 1.61 0.04 -1.26 -4.90 135.00 132.26 1x66 s PRO 95 Ca 0.00 1.97 -0.32 0.00 0.04 0.00 0.00 61.00 62.68 1x66 s PRO 95 Cb 0.00 -2.89 -0.09 0.00 0.04 0.00 0.00 34.50 31.56 1x66 s PRO 95 CO 0.00 -0.20 2.23 0.45 0.04 0.00 0.00 177.00 179.52 1x66 n SER 96 N 0.48 2.43 -4.51 6.66 2.88 -1.26 -4.93 113.62 115.39 1x66 n SER 96 Ca 0.02 0.28 -0.24 0.00 -1.33 0.00 0.00 58.87 57.59 1x66 n SER 96 Cb 0.45 -1.37 -0.10 0.00 -0.75 0.00 0.00 64.21 62.44 1x66 n SER 96 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x66 s SER 97 N 8.02 2.99 0.00 -3.46 0.01 -1.26 -5.15 113.70 114.85 1x66 s SER 97 Ca 1.07 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1x66 s SER 97 Cb -0.66 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.43 1x66 s SER 97 CO 0.43 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.11